5,6-디메틸벤즈이미다졸

5,6-Dimethylbenzimidazole

HCID 675

기본 정보

CAS
582-60-5
표준 SMILES
Cc1cc2nc[nH]c2cc1C
InChIKey
LJUQGASMPRMWIW-UHFFFAOYSA-N
분자식
C9H10N2
평균 분자량
146.19 g/mol
단동위원소 질량
146.08439833

이름 및 식별자

우선 이름
5,6-Dimethylbenzimidazole
IUPAC
5,6-dimethyl-1H-benzimidazole
현지명
5,6-디메틸벤즈이미다졸
영어명
5,6-Dimethylbenzimidazole
분자식
C9H10N2
분자량
146.19

이름 및 동의어

5,6-Dimethylbenzimidazole582-60-55,6-Dimethyl-1H-benzimidazoleDimedazolDimedazoleDimesol1H-Benzimidazole, 5,6-dimethyl-DimezoldimethylbenzimidazoleBenzimidazole, 5,6-dimethyl-5,6-dimethyl-1H-1,3-benzodiazole553XI1DS20
이름 더 보기
5,6-디메틸벤즈이미다졸C031145,6-DBINSC68316AI3-52806
NSC-68316CHEBI:15890DTXSID70870631RefChem:528118CHEBI:23809DTXCID10818335209-488-15,6-dimethyl-1H-benzo[d]imidazole

데이터베이스 식별자

CAS
582-60-5
PubChem CID
675
DTXSID
DTXSID70870631
ChEMBL
CHEMBL351132
ChEBI
CHEBI:15890
UNII
553XI1DS20
EC Number
209-488-1
Nikkaji
J69.209C

물성

구조 계산 물성

XLogP
2.4
극성 표면적
28.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

LogP · 2건

2.35

1.854

Melting Point · 2건

205.5

205.5 °C

Physical DescriptionSolid
Collision Cross Section · 3건

129.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];130.3 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

127.73 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)];129.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

130 Ų [M-H]-;130.4 Ų [M+H]+

물리화학적 성질

녹는점
202 · 202-205 °C (lit.)
끓는 점
255.81 °C · 255.81°C (rough estimate)
밀도
1.0976 · 1.0976 (rough estimate)
굴절률
1.56 · 1.5600 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
에탄올(50mg/ml)에 용해됩니다.

화학적 성질

light beige powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 6 reports by companies.;There are 2 notifications provided by 3 of 6 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21166
Hazard Classes and CategoriesAcute Tox. 4 (33.3%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (16.7%);Aquatic Chronic 3 (33.3%)

규제 정보

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21166

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DD8280000
HS 번호
29339990
safety_code
24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsProstate
Cellular LocationsMembrane
Metabolite PathwaysRiboflavin Metabolism

용도 및 제조

General Manufacturing Information1H-Benzimidazole, 5,6-dimethyl-: INACTIVE

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安徽省大利生物科技有限责任公司15705632007

추가 설명

정의ChEBI: A dimethylbenzimidazole carrying methyl substituents at positions 5 and 6.

관련 반응

28건

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